Compound Detail
CHEMBL133331
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Basic Information
| ChEMBL ID | CHEMBL133331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOTAVLVEOHIACI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.8
MW (Da)
5.51
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.65
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Ki 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibitory concentration against human androgen receptor (AR) dependent transcri... | 10743937 |
| Androgen receptor | Ki | = | 320.0 | nM | 6.5 | Binding affinity for human androgen receptor transfected into mammalian COS-1 ce... | 10743937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10743937 | 10.1016/s0960-894x(00)00010-x | Androgen receptor | 3 |
Data from ChEMBL 36 via Core Engine